Geometry & MOs

Info

ID:	340488
PubChem CID:	127262499
Reduced:	N2O2C7H10 (1)
Stoich.:	A2B2C7D10 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-30.27
Dipole, Da:	5.87
IP(EA), eV:	-10.32(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[5-butanoyl-6-(dimethylamino)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CN1CC(=O)OCCC#N

DOS

IR

Vibrations